MMsINC Database Search


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MMsINC code: MMs00975490

Type: Neutral
Formula: C₂₇H₂₅N₃

SMILES:

n1n(c2c(cnc3c2cc(cc3)C)c1-c1ccccc1)-c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C27H25N3/c1-18-10-15-24-22(16-18)26-23(17-28-24)25(19-8-6-5-7-9-19)29-30(26)21-13-11-20(12-14-21)27(2,3)4/h5-17H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.625 kcal/mol

Physical Properties
Molecular Weight: 391.518 g/mol	logS: -8.86269	SlogP: 6.84662	Reactive groups: 0

Topological Properties
Globularity: 0.0479752	Sterimol/B1: 3.17488	Sterimol/B2: 3.35486	Sterimol/B3: 4.00131
Sterimol/B4: 9.418	Sterimol/L: 17.4124

Surface and Volume Properties
Accessible surface: 665.892	Positive charged surface: 387.823	Negative charged surface: 268.218	Volume: 404.25
Hydrophobic surface: 578.731	Hydrophilic surface: 87.161

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.